CID 497770

Chembl64639

Structural Information

Molecular Formula
C19H15N3O3
SMILES
COC1=C(C=CC(=C1)NC2=NC=C(O2)C3=CC=CC=C3)C4=CN=CO4
InChI
InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
InChIKey
JKVQXQHNRLDGAM-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

333.11133 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11861 173.5
[M+Na]+ 356.10055 183.1
[M-H]- 332.10405 186.6
[M+NH4]+ 351.14515 184.7
[M+K]+ 372.07449 180.6
[M+H-H2O]+ 316.10859 164.2
[M+HCOO]- 378.10953 198.8
[M+CH3COO]- 392.12518 186.3
[M+Na-2H]- 354.08600 178.2
[M]+ 333.11078 179.1
[M]- 333.11188 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe